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Theoretical Calculation of Bond Dissociation Energies and Enthalpies of Formation for Halogenated Molecules

✍ Scribed by Lazarou, Yannis G.; Prosmitis, Alexandros V.; Papadimitriou, Vassileios C.; Papagiannakopoulos, Panos


Book ID
127215903
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
96 KB
Volume
105
Category
Article
ISSN
1089-5639

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Theoretical enthalpies of formation and
✍ J. Espinosa-Garcı́a πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 169 KB

The enthalpies of formation of n-bromopropane (CH 3 CH 2 CH 2 Br) and its free radicals (CH 2 CH 2 CH 2 Br, CH 3 CHCH 2 Br and CH 3 CH 2 CHBr) were estimated by molecular orbital integrated methods using several working chemical reactions with four variants of theoretical approaches (levels) and fou